(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride

C13H20ClN3O2 — CID 119309731

IUPAC(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCC(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(14)13(18)16-9-12(17)15-8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H/t10-;/m0./s1
InChIKeyHCUFYUJOEMNEAC-PPHPATTJSA-N
MW285.77 g/mol
LogP0.23
Rot. Bonds6

About (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119309731) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
PubChem CID119309731
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
SMILESC[C@H](N)C(=O)NCC(=O)NCCc1ccccc1.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-10(14)13(18)16-9-12(17)15-8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H/t10-;/m0./s1
InChIKeyHCUFYUJOEMNEAC-PPHPATTJSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea
CID 69141088
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[[2-[[2-(2-aminopropanoylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 18235515
3-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309735
(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2R)-2-amino-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 120872754
2-(2,2-dimethoxyethylamino)-N-(2-phenylethyl)acetamide;hydrochloride
CID 46224006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride (CID 119309731) is (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride is C[C@H](N)C(=O)NCC(=O)NCCc1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is HCUFYUJOEMNEAC-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-10(14)13(18)16-9-12(17)15-8-7-11-5-3-2-4-6-11;/h2-6,10H,7-9,14H2,1H3,(H,15,17)(H,16,18);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 285.77 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119309731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).